1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione

C16H19NO5 — CID 2221377

IUPAC1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione
SMILESC=CCc1cc(OC)ccc1OCCON1C(=O)CCC1=O
InChIInChI=1S/C16H19NO5/c1-3-4-12-11-13(20-2)5-6-14(12)21-9-10-22-17-15(18)7-8-16(17)19/h3,5-6,11H,1,4,7-10H2,2H3
InChIKeyCXVSDEXFJBHRKI-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.88
Rot. Bonds8

About 1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione

1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione (PubChem CID 2221377) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione
PubChem CID2221377
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione
SMILESC=CCc1cc(OC)ccc1OCCON1C(=O)CCC1=O
InChIInChI=1S/C16H19NO5/c1-3-4-12-11-13(20-2)5-6-14(12)21-9-10-22-17-15(18)7-8-16(17)19/h3,5-6,11H,1,4,7-10H2,2H3
InChIKeyCXVSDEXFJBHRKI-UHFFFAOYSA-N
XLogP1.88
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione
CID 2221477
1-[4-(4-methoxy-2-prop-2-enylphenoxy)butyl]pyrrolidin-1-ium
CID 2296721
1-[3-(4-methoxy-2-prop-2-enylphenoxy)propyl]-4-methylpiperazine-1,4-diium
CID 2299606
N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid
CID 2949000
4-[4-(4-methoxy-2-prop-2-enylphenoxy)butyl]morpholin-4-ium
CID 2299379
(2S)-N-[2-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2181758
2-[3-(4-methoxy-2-prop-2-enylphenoxy)propylsulfanyl]pyrimidine
CID 2948891
4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene
CID 129010804
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one
CID 79577646
8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline
CID 2183511
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione (CID 2221377) is 1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione is C=CCc1cc(OC)ccc1OCCON1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione?
The InChIKey is CXVSDEXFJBHRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-3-4-12-11-13(20-2)5-6-14(12)21-9-10-22-17-15(18)7-8-16(17)19/h3,5-6,11H,1,4,7-10H2,2H3.
What are the key properties of 1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione?
1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione has a molecular weight of 305.33 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 2221377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).